exchange some pointers into vectors (#3965)

* Update berryphase.cpp * Update berryphase.cpp * Update read_wfc_pw.cpp * Update to_wannier90_pw.cpp
deepmodeling · Apr 13, 2024 · cc21a8d · cc21a8d
1 parent 93b3276
commit cc21a8d
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Showing 3 changed files with 13 additions and 17 deletions.
diff --git a/source/module_io/berryphase.cpp b/source/module_io/berryphase.cpp
@@ -395,10 +395,10 @@ void berryphase::Berry_Phase(int nbands,
                              const K_Vectors& kv)
 {		
 	std::complex<double> cave = 0.0;
-	double *phik = new double[total_string];
+    std::vector<double> phik(total_string);
 	double phik_ave = 0.0;
-	std::complex<double> *cphik = new std::complex<double>[total_string];
-	double *wistring = new double[total_string];
+    std::vector<std::complex<double>> cphik(total_string);
+    std::vector<double> wistring(total_string);
 
 
 	// electron polarization
@@ -453,10 +453,7 @@ void berryphase::Berry_Phase(int nbands,
 	}
 
 
-
-	delete[] phik;
-	delete[] cphik;
-	delete[] wistring;
+
 
 
 	//GlobalV::ofs_running << "Berry_Phase end " << std::endl;

diff --git a/source/module_io/read_wfc_pw.cpp b/source/module_io/read_wfc_pw.cpp
@@ -91,14 +91,14 @@ bool ModuleIO::read_wfc_pw(const std::string& filename,
     }
     MPI_Allreduce(MPI_IN_PLACE, &ip, 1, MPI_INT, MPI_MAX, MPI_COMM_WORLD);
     MPI_Bcast(&size, 1, MPI_INT, ip, MPI_COMM_WORLD);
-    char* swap = new char[size + 1];
+    std::vector<char> swap(size + 1);
     if (error)
     {
-        strcpy(swap, msg.c_str());
+        strcpy(swap.data(), msg.c_str());
     }
-    MPI_Bcast(swap, size + 1, MPI_CHAR, ip, MPI_COMM_WORLD);
-    msg = static_cast<std::string>(swap);
-    delete[] swap;
+    MPI_Bcast(swap.data(), size + 1, MPI_CHAR, ip, MPI_COMM_WORLD);
+    msg = static_cast<std::string>(swap.data());
+
 
     MPI_Bcast(&error, 1, MPI_C_BOOL, ip, MPI_COMM_WORLD);
 #endif
@@ -362,4 +362,4 @@ bool ModuleIO::read_wfc_pw(const std::string& filename,
 
     ModuleBase::timer::tick("ModuleIO", "read_wfc_pw");
     return true;
-}
+}
diff --git a/source/module_io/to_wannier90_pw.cpp b/source/module_io/to_wannier90_pw.cpp
@@ -187,8 +187,8 @@ void toWannier90_PW::out_unk(
 
 #ifdef __MPI
     // which_ip: found iz belongs to which ip.
-    int* which_ip = new int[wfcpw->nz];
-    ModuleBase::GlobalFunc::ZEROS(which_ip, wfcpw->nz);
+    std::vector<int> which_ip(wfcpw->nz);
+    ModuleBase::GlobalFunc::ZEROS(which_ip.data(), wfcpw->nz);
 
     for (int ip = 0; ip < GlobalV::NPROC_IN_POOL; ip++)
     {
@@ -338,7 +338,6 @@ void toWannier90_PW::out_unk(
     }
     MPI_Barrier(MPI_COMM_WORLD);
 
-    delete[] which_ip;
     delete[] porter;
     delete[] zpiece;
 
@@ -1046,4 +1045,4 @@ void toWannier90_PW::unkdotW_A(
     Parallel_Reduce::reduce_all(Amn.c, Amn.size);
 #endif
 
-}
+}